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N-(4,6-Dimethyl-2-pyrimidinyl)-4-[2,2,2-trifluoro-1-isovaleramido-1-(trifluoromethyl)ethylamino]benzenesulfonamide
SpectraBase Compound ID A11CHSyuqDD
InChI InChI=1S/C20H23F6N5O3S/c1-11(2)9-16(32)30-18(19(21,22)23,20(24,25)26)29-14-5-7-15(8-6-14)35(33,34)31-17-27-12(3)10-13(4)28-17/h5-8,10-11,29H,9H2,1-4H3,(H,30,32)(H,27,28,31)
InChIKey DLZADEWATNWXGT-UHFFFAOYSA-N
Mol Weight 527.49 g/mol
Molecular Formula C20H23F6N5O3S
Exact Mass 527.14258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAFIx1rwgZT
Name N-(4,6-DIMETHYL-2-PYRIMIDINYL)-4-[2,2,2-TRIFLUORO-1-ISOVALERAMIDO-1-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H23F6N5O3S
InChI InChI=1S/C20H23F6N5O3S/c1-11(2)9-16(32)30-18(19(21,22)23,20(24,25)26)29-14-5-7-15(8-6-14)35(33,34)31-17-27-12(3)10-13(4)28-17/h5-8,10-11,29H,9H2,1-4H3,(H,30,32)(H,27,28,31)
InChIKey DLZADEWATNWXGT-UHFFFAOYSA-N
Molecular Weight 527.1421
SMILES N(S(c1ccc(NC(NC(CC(C)C)=O)(C(F)(F)F)C(F)(F)F)cc1)(=O)=O)c1nc(C)cc(C)n1
SPLASH splash10-03dl-9221000000-e46a51e00669c53c53c5
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany